Geometry & MOs

Info

ID:	427132
PubChem CID:	135155653
Reduced:	BrSF2N3O4C30H34 (1)
Stoich.:	ABC2D3E4F30G34 (1)
Weight, g/mol:	516.227374
ΔH_f, kcal/mol:	-211.05
Dipole, Da:	6.89
IP(EA), eV:	-9.21(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[1-[3-(1,2-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)phenyl]propyl]-5,5-diphenylimidazol-4-one

Drug info:

PubChemData

Smile

CC(C)COC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N[C@@H](C(=O)N3C4CCC3CC(C4)N)C(C5=CC=C(C=C5)Br)(F)F

DOS

IR

Vibrations